1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone

C18H18N2O2S — CID 160534479

IUPAC1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone
SMILESO=C(Cc1cc2sc(-c3ccccc3)cn2c1)[C@@H]1COCCN1
InChIInChI=1S/C18H18N2O2S/c21-16(15-12-22-7-6-19-15)8-13-9-18-20(10-13)11-17(23-18)14-4-2-1-3-5-14/h1-5,9-11,15,19H,6-8,12H2/t15-/m0/s1
InChIKeyWUIMNZTVDWXHMS-HNNXBMFYSA-N
MW326.42 g/mol
LogP2.77
Rot. Bonds4

About 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone

1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone (PubChem CID 160534479) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone
PubChem CID160534479
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone
SMILESO=C(Cc1cc2sc(-c3ccccc3)cn2c1)[C@@H]1COCCN1
InChIInChI=1S/C18H18N2O2S/c21-16(15-12-22-7-6-19-15)8-13-9-18-20(10-13)11-17(23-18)14-4-2-1-3-5-14/h1-5,9-11,15,19H,6-8,12H2/t15-/m0/s1
InChIKeyWUIMNZTVDWXHMS-HNNXBMFYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
1-morpholin-3-ylpropan-1-one
CID 54487560
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
CID 104983382
N-(1-benzyl-2-oxo-3-pyridinyl)morpholine-3-carboxamide
CID 119811008
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone?
The IUPAC name of 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone (CID 160534479) is 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone.
What is the SMILES notation for 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone?
The canonical SMILES for 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone is O=C(Cc1cc2sc(-c3ccccc3)cn2c1)[C@@H]1COCCN1.
What is the InChIKey of 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone?
The InChIKey is WUIMNZTVDWXHMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-16(15-12-22-7-6-19-15)8-13-9-18-20(10-13)11-17(23-18)14-4-2-1-3-5-14/h1-5,9-11,15,19H,6-8,12H2/t15-/m0/s1.
What are the key properties of 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone?
1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-morpholin-3-yl]-2-(2-phenylpyrrolo[2,1-b][1,3]thiazol-6-yl)ethanone is sourced from PubChem (CID 160534479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).